==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT PROTEIN(CUPROPROTEIN)14-OCT-86 2AZA . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER XYLOSOXIDANS; . AUTHOR E.N.BAKER,G.E.NORRIS . 258 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 106 0, 0.0 2,-0.7 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 20.4 -20.0 17.5 4.5 2 2 A Q - 0 0 140 2,-0.2 21,-0.4 1,-0.1 24,-0.1 -0.937 360.0 -18.9 115.2 -96.3 -20.6 20.4 2.1 3 3 A a S S+ 0 0 21 -2,-0.7 27,-1.7 19,-0.1 2,-0.3 -0.318 128.0 84.5-132.6 34.4 -17.2 21.8 1.8 4 4 A E E -a 30 0A 62 25,-0.2 2,-0.3 92,-0.1 27,-0.2 -0.952 49.5-176.3-143.6 153.6 -15.9 20.1 4.9 5 5 A A E -a 31 0A 20 25,-1.7 27,-2.8 -2,-0.3 2,-0.4 -0.986 16.5-141.0-149.8 149.8 -14.5 16.7 5.7 6 6 A T E -a 32 0A 69 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.941 17.3-172.2-113.2 130.3 -13.3 15.0 8.9 7 7 A I E -a 33 0A 0 25,-2.8 27,-2.3 -2,-0.4 2,-0.4 -0.966 10.3-146.6-124.8 139.1 -10.2 12.8 9.0 8 8 A E E -a 34 0A 67 -2,-0.4 8,-1.2 25,-0.2 2,-0.3 -0.861 9.5-170.4-112.8 141.7 -9.1 10.7 11.9 9 9 A S E -aB 35 15A 0 25,-2.3 27,-2.9 -2,-0.4 28,-0.5 -0.939 14.7-175.8-120.8 141.0 -5.5 9.8 13.0 10 10 A N > - 0 0 45 4,-1.5 3,-1.0 -2,-0.3 4,-0.3 -0.634 44.3 -85.5-128.2-168.3 -4.8 7.1 15.7 11 11 A D T 3 S+ 0 0 32 1,-0.2 24,-0.0 -2,-0.2 78,-0.0 0.391 115.9 71.6 -81.8 -2.0 -2.0 5.6 17.6 12 12 A A T 3 S- 0 0 38 2,-0.1 -1,-0.2 32,-0.0 3,-0.1 0.293 114.5-108.4 -98.5 4.7 -1.3 3.1 14.8 13 13 A M S < S+ 0 0 0 -3,-1.0 2,-0.3 1,-0.3 -2,-0.1 0.935 78.7 126.2 67.1 46.6 0.1 5.8 12.5 14 14 A Q - 0 0 98 -4,-0.3 -4,-1.5 107,-0.1 2,-0.3 -0.957 53.5-148.2-133.4 154.6 -2.9 5.8 10.3 15 15 A Y B -B 9 0A 24 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.753 21.0-137.4-109.1 157.0 -5.5 8.1 8.8 16 16 A D S S+ 0 0 68 -8,-1.2 2,-0.4 -2,-0.3 -7,-0.1 0.484 85.8 63.0 -96.3 -9.6 -9.0 6.5 8.2 17 17 A L - 0 0 54 -9,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.977 52.9-175.1-117.6 135.1 -9.5 8.2 4.8 18 18 A K S S+ 0 0 152 -2,-0.4 106,-2.4 1,-0.2 2,-0.3 0.614 76.5 27.4-102.3 -15.9 -7.2 7.5 1.7 19 19 A E E -d 124 0B 114 104,-0.2 2,-0.4 2,-0.0 106,-0.2 -0.998 61.1-161.3-147.4 149.5 -8.9 10.0 -0.5 20 20 A M E -d 125 0B 4 104,-2.7 106,-1.8 -2,-0.3 2,-0.5 -0.977 9.3-153.6-126.7 139.0 -10.7 13.3 -0.2 21 21 A V E -d 126 0B 74 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.970 3.7-154.2-117.0 130.5 -13.0 14.9 -2.8 22 22 A V E -d 127 0B 0 104,-3.0 106,-2.4 -2,-0.5 2,-0.2 -0.928 23.5-126.1-100.4 122.8 -13.5 18.7 -2.9 23 23 A D E > -d 128 0B 65 -2,-0.6 3,-2.1 -21,-0.4 106,-0.2 -0.414 11.9-128.8 -70.6 144.8 -16.9 19.7 -4.5 24 24 A K T 3 S+ 0 0 102 104,-1.0 -1,-0.1 1,-0.3 105,-0.1 0.661 104.8 64.6 -63.0 -17.2 -16.7 22.1 -7.4 25 25 A S T 3 S+ 0 0 98 2,-0.0 2,-0.4 104,-0.0 -1,-0.3 0.564 84.4 103.3 -81.7 -8.7 -19.3 24.4 -5.9 26 26 A a < + 0 0 9 -3,-2.1 3,-0.1 1,-0.2 -4,-0.0 -0.629 41.4 175.9 -86.5 133.2 -17.0 25.1 -3.0 27 27 A K S S+ 0 0 127 -2,-0.4 72,-2.0 1,-0.3 73,-0.5 0.730 80.6 30.2 -94.5 -30.1 -15.0 28.3 -2.7 28 28 A Q E S- C 0 98A 134 70,-0.2 2,-0.4 71,-0.1 -1,-0.3 -0.952 71.5-156.8-126.0 144.4 -13.5 27.4 0.7 29 29 A F E - C 0 97A 4 68,-3.2 68,-3.3 -2,-0.3 2,-0.4 -0.976 4.9-158.9-125.7 137.8 -12.7 23.9 2.0 30 30 A T E -aC 4 96A 15 -27,-1.7 -25,-1.7 -2,-0.4 2,-0.5 -0.995 2.6-165.1-119.5 125.7 -12.4 22.9 5.6 31 31 A V E -aC 5 95A 0 64,-3.0 64,-2.4 -2,-0.4 2,-0.6 -0.947 4.3-160.4-109.8 129.9 -10.6 19.9 7.0 32 32 A H E -aC 6 94A 50 -27,-2.8 -25,-2.8 -2,-0.5 2,-0.5 -0.932 9.3-162.7-108.1 111.5 -11.2 18.7 10.6 33 33 A L E -aC 7 93A 0 60,-3.3 60,-2.5 -2,-0.6 2,-0.4 -0.764 5.7-171.1 -96.4 134.6 -8.4 16.5 11.9 34 34 A K E -aC 8 92A 69 -27,-2.3 -25,-2.3 -2,-0.5 2,-0.7 -0.967 17.3-150.8-123.3 138.4 -9.0 14.4 15.0 35 35 A H E -a 9 0A 3 56,-3.1 55,-1.5 -2,-0.4 56,-0.3 -0.968 16.7-179.5-110.8 101.5 -6.4 12.4 16.9 36 36 A V + 0 0 75 -27,-2.9 -26,-0.2 -2,-0.7 -1,-0.1 0.296 52.7 89.5 -87.6 6.0 -8.5 9.5 18.3 37 37 A G S S- 0 0 14 -28,-0.5 53,-0.7 7,-0.1 -2,-0.1 -0.135 75.5-130.3 -88.8-169.9 -5.5 7.9 20.1 38 38 A K + 0 0 190 51,-0.2 2,-0.1 52,-0.1 -1,-0.1 0.374 64.6 117.1-126.8 4.2 -4.1 8.5 23.5 39 39 A M - 0 0 60 5,-0.1 50,-2.8 1,-0.1 -2,-0.1 -0.457 68.8-105.5 -79.1 149.8 -0.4 9.0 22.8 40 40 A A >> - 0 0 59 48,-0.2 4,-2.8 -2,-0.1 3,-0.8 -0.317 26.5-114.5 -72.5 152.7 1.4 12.3 23.5 41 41 A K H 3> S+ 0 0 75 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.794 116.4 58.5 -63.1 -26.5 2.2 14.7 20.7 42 42 A S H 34 S+ 0 0 66 2,-0.2 -1,-0.3 1,-0.2 -3,-0.0 0.823 117.1 33.2 -71.0 -31.0 5.9 14.2 21.4 43 43 A A H <4 S+ 0 0 12 -3,-0.8 206,-0.3 1,-0.1 -2,-0.2 0.800 142.6 2.8 -91.8 -39.3 5.5 10.5 20.7 44 44 A M H < S+ 0 0 0 -4,-2.8 -2,-0.2 205,-0.1 -3,-0.2 -0.269 78.9 164.4-153.6 52.0 2.8 10.3 18.1 45 45 A G < - 0 0 0 -4,-1.2 2,-0.3 41,-0.1 43,-0.2 -0.417 18.9-157.0 -73.5 144.3 1.8 13.8 17.1 46 46 A H B +H 87 0C 0 41,-1.9 41,-3.0 67,-0.1 2,-0.2 -0.987 18.2 168.0-134.0 146.4 -0.2 14.2 13.9 47 47 A N - 0 0 0 -2,-0.3 2,-0.4 39,-0.3 39,-0.1 -0.719 28.8-127.2-136.1 178.0 -0.9 16.9 11.4 48 48 A W - 0 0 0 -2,-0.2 36,-1.7 37,-0.2 2,-0.4 -0.971 26.7-174.0-139.2 119.4 -2.5 17.1 7.9 49 49 A V E -EF 83 111B 0 62,-1.8 62,-1.9 -2,-0.4 2,-0.5 -0.990 12.3-150.4-127.0 132.9 -0.5 18.7 5.1 50 50 A L E +EF 82 110B 0 32,-2.4 31,-2.7 -2,-0.4 32,-0.7 -0.929 31.1 143.6-108.6 117.2 -1.6 19.5 1.5 51 51 A T E - F 0 109B 0 58,-2.6 58,-2.7 -2,-0.5 2,-0.2 -0.888 58.3 -81.6-141.6 170.2 1.0 19.6 -1.4 52 52 A K E >> - F 0 108B 88 27,-0.5 3,-1.7 -2,-0.3 4,-0.5 -0.587 51.6-115.4 -71.6 143.0 1.3 18.7 -5.0 53 53 A E T 34 S+ 0 0 81 54,-0.8 3,-0.4 1,-0.3 4,-0.3 0.724 119.1 61.0 -50.9 -28.5 2.0 14.9 -5.0 54 54 A A T 34 S+ 0 0 79 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.856 102.0 49.1 -62.8 -48.6 5.3 15.9 -6.4 55 55 A D T <> S+ 0 0 44 -3,-1.7 4,-2.5 1,-0.2 5,-0.3 0.379 81.5 103.2 -81.3 -1.1 6.2 18.1 -3.3 56 56 A K H X S+ 0 0 46 -4,-0.5 4,-1.9 -3,-0.4 -1,-0.2 0.907 85.3 35.3 -44.6 -68.3 5.3 15.3 -0.7 57 57 A E H > S+ 0 0 90 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.839 118.4 49.9 -62.9 -41.3 8.9 14.1 0.2 58 58 A G H > S+ 0 0 33 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.880 114.5 44.4 -63.9 -44.2 10.6 17.5 -0.0 59 59 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 15,-0.4 0.823 114.3 51.4 -69.4 -34.6 8.0 19.3 2.1 60 60 A A H X S+ 0 0 4 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.887 111.7 46.7 -65.8 -44.4 8.1 16.3 4.6 61 61 A T H X S+ 0 0 68 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.930 115.0 44.5 -68.1 -48.2 11.8 16.6 4.8 62 62 A D H X S+ 0 0 49 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.820 111.6 54.7 -61.9 -38.1 11.9 20.3 5.3 63 63 A G H >X S+ 0 0 0 -4,-2.0 3,-1.7 2,-0.2 4,-0.8 0.932 103.1 55.4 -61.4 -49.5 9.0 20.0 7.9 64 64 A M H >< S+ 0 0 37 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.892 107.3 51.7 -49.5 -42.5 10.9 17.5 10.0 65 65 A N H 3< S+ 0 0 124 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.645 97.4 67.5 -75.6 -13.2 13.7 20.0 10.2 66 66 A A H << S- 0 0 32 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.767 97.7-139.3 -80.9 -23.0 11.4 22.8 11.3 67 67 A G X<> - 0 0 25 -3,-1.0 5,-2.3 -4,-0.8 3,-1.1 -0.046 29.5 -65.6 90.7 165.4 10.7 21.2 14.7 68 68 A L G > 5S+ 0 0 60 1,-0.2 3,-1.9 3,-0.2 18,-0.3 0.800 125.5 63.2 -64.7 -34.2 7.5 20.8 16.8 69 69 A A G 3 5S+ 0 0 97 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.676 106.6 46.4 -65.6 -18.6 7.1 24.5 17.5 70 70 A Q G X 5S- 0 0 93 -3,-1.1 3,-0.9 -4,-0.2 -1,-0.3 0.155 119.5-112.3-103.8 10.2 6.6 25.0 13.7 71 71 A D T < 5 - 0 0 37 -3,-1.9 -3,-0.2 1,-0.2 42,-0.2 0.782 64.0 -69.6 59.8 33.2 4.2 22.1 13.6 72 72 A Y T 3 - 0 0 81 -15,-0.4 3,-1.8 -2,-0.4 6,-0.1 -0.330 47.6-105.6 -59.6 124.8 8.8 24.8 7.2 75 75 A A T 3 S+ 0 0 71 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.394 100.3 3.6 -57.7 125.8 7.4 28.3 7.9 76 76 A G T 3 S+ 0 0 73 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.789 83.9 172.6 63.1 35.5 6.1 30.0 4.9 77 77 A D X - 0 0 13 -3,-1.8 3,-0.6 1,-0.2 -1,-0.3 -0.640 22.2-156.2 -71.8 127.8 6.9 26.9 2.8 78 78 A T T 3 S+ 0 0 145 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.0 0.654 86.9 68.2 -84.4 -13.2 5.2 27.9 -0.5 79 79 A R T 3 S+ 0 0 66 -24,-0.1 2,-0.7 -28,-0.0 -27,-0.5 0.543 84.2 90.7 -74.9 -10.1 4.8 24.2 -1.6 80 80 A V < - 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